SCHEMBL20178520

SCHEMBL20178520

O=C(O)C1=NN(c2cccc(Cl)c2)C(=O)C1

nearest known ligand 0.72

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 3/20 0.72
KMT2A Q03164 10/20 0.62
MAPT P10636 8/20 0.62
GAA P10253 7/20 0.62
KDM4E B2RXH2 6/20 0.62
MEN1 O00255 8/20 0.53
L3MBTL1 Q9Y468 2/20 0.53
TDP1 Q9NUW8 4/20 0.48
CASP6 P55212 1/20 0.48
CTDSP1 Q9GZU7 1/20 0.48
NPC1 O15118 1/20 0.47
RAB9A P51151 1/20 0.47
PKM P14618 1/20 0.47
ALDH1A1 P00352 3/20 0.44
LOX P28300 1/20 0.43
CYP1A2 P05177 1/20 0.43
CHRM2 P08172 1/20 0.43
CYP3A4 P08684 1/20 0.43
CHRM1 P11229 1/20 0.43
TSHR P16473 1/20 0.43

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL3408946 0.84 POLB (1.00) POLBKMT2AMAPTGAAKDM4E
SCHEMBL15304543 0.80 MEN1 (0.67) POLBKMT2AMAPTGAAKDM4E
SCHEMBL2201836 0.78 MAPT (0.64) POLBKMT2AMAPTGAAKDM4E
SCHEMBL1260486 0.77 MAPT (1.00) POLBKMT2AMAPTGAAKDM4E
SCHEMBL11864350 0.77 KMT2A (0.68) POLBKMT2AMAPTGAAKDM4E
SCHEMBL13931158 0.77 POLB (0.72) POLBKMT2AMAPTGAAKDM4E
SCHEMBL11726176 0.75 KMT2A (0.61) POLBKMT2AMAPTGAAKDM4E
SCHEMBL13931170 0.75 POLB (0.76) POLBKMT2AMAPTGAAKDM4E
SCHEMBL12384188 0.75 POLB (0.76) POLBKMT2AMAPTGAAKDM4E
SCHEMBL13597571 0.75 POLB (0.76) POLBKMT2AMAPTGAAKDM4E

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9981999-B2 Neprilysin inhibitors THERAVANCE BIOPHARMA R&D IP, LLC (US) 2018-05-29 US disclosed